AMBER Archive (2003)

Subject: Re: AMBER: Compiling antechamber on amber 8

From: Junmei Wang (JWang_at_encysive.com)
Date: Fri Oct 03 2003 - 09:50:01 CDT

I think this is because the versions of bondtype.C and the included files,
such as ac.c and mol2.c are not same. I have tested the package in cygwin
using gcc/g++ and it is fine.
Please download all the files in /src/antechamber and recompile it. Please
let me know if there are still errors ...

Best

Junmei

===============================================================
Dr. Junmei Wang
Chemistry & Biophysics
Encysive Pharmaceuticals
7000 Fannin, Houston TX 77030
Tel: 713-5786649
Email: jwang_at_tbc.com
Homepage: http://sigyn.compchem.ucsf.edu/members/jmwang/index.html
===============================================================

                                                                           
             Mengjuei Hsieh
             <mjhsieh_at_yahoo.co
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             owner-amber_at_scrip cc
             ps.edu
                                                                   Subject
                                       AMBER: Compiling antechamber on
             10/03/2003 05:10 amber 8
             AM
                                                                           
                                                                           
             Please respond to
             amber_at_scripps.edu
                                                                           
                                                                           

Hi,

When compiling antechamber for amber 8, the compiler (g++ or icc) gave me
several errors and refused to continue.
Any idea?

Followed by the error messages of Intel Compiler, g++ gave the same errors
except different phrasing. 

--
Mengjuei, Luo group, Molecular Biology & Biochem,
University of California Irvine.

<log>
$ icc -c bondtype.C
bondtype.C(925): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                  overflow_flag = rac(ifilename, &atomnum, atom, &bondnum,
bond, cinfo, minfo);

^
bondtype.C(925): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                  overflow_flag = rac(ifilename, &atomnum, atom, &bondnum,
bond, cinfo, minfo);

^
bondtype.C(927): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                  overflow_flag = rmol2(ifilename, &atomnum, atom,
&bondnum,
bond, cinfo, minfo, 0);

^
bondtype.C(927): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                  overflow_flag = rmol2(ifilename, &atomnum, atom,
&bondnum,
bond, cinfo, minfo, 0);

^
bondtype.C(950): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                          rac(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo);
                                                                         ^
bondtype.C(950): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                          rac(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo);

^
bondtype.C(952): error: no suitable conversion function from "CONTROLINFO"
to "CONTROLINFO *" exists
                          rmol2(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo, 0);
^
bondtype.C(952): error: no suitable conversion function from "MOLINFO" to
"MOLINFO *" exists
                          rmol2(ifilename, &atomnum, atom, &bondnum, bond,
cinfo, minfo, 0);

^
compilation aborted for bondtype.C (code 2)
</log>

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